5,10,15,20-tetraphenyl-21,22-dihydroporphyrin-2-sulfonic acid

Systemtic Name: 5,10,15,20-tetraphenyl-21,22-dihydroporphyrin-2-sulfonic acid Openeye Name: 5,10,15,20-tetraphenyl-21,22-dihydroporphyrin-2-sulfonic acid CAS Name: 5,10,15,20-tetraphenyl-21,22-dihydroporphyrin-2-sulfonic acid IUPAC Name: 5,10,15,20-tetraphenyl-21,22-dihydroporphyrin-2-sulfonic acid Traditional Name: 5,10,15,20-tetraphenyl-21,22-dihydroporphine-2-sulfonic acid Formula: C44H30N4O3S MolecularWeight: 694.799

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC(=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)S(=O)(=O)O)C9=CC=CC=C9)N3

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC(=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)S(=O)(=O)O)C9=CC=CC=C9)N3

InChI

InChI=1S/C44H30N4O3S/c49-52(50,51)39-27-38-42(30-17-9-3-10-18-30)36-24-23-34(46-36)40(28-13-5-1-6-14-28)32-21-22-33(45-32)41(29-15-7-2-8-16-29)35-25-26-37(47-35)43(44(39)48-38)31-19-11-4-12-20-31/h1-27,46,48H,(H,49,50,51)